SCHEMBL15979342

SCHEMBL15979342

CC(C)NC(CNC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
CTSK P43235 4/20 0.48
CTSS P25774 3/20 0.48
ATM Q13315 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
PCSK9 Q8NBP7 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KDM4A O75164 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15983852 0.86 CTSK (0.50) SYKCTSKCTSSATMMALT1
SCHEMBL16379594 0.86 CTSK (0.50) SYKCTSKCTSSATMMALT1
SCHEMBL10318066 0.82 CTSK (0.52) SYKCTSKCTSSATMMALT1
SCHEMBL19847664 0.82 CTSK (0.52) SYKCTSKCTSSATMMALT1
SCHEMBL10318067 0.82 CTSK (0.52) SYKCTSKCTSSATMMALT1
SCHEMBL7834971 0.82 CTSK (0.55) SYKCTSKCTSSATMMALT1
SCHEMBL6675646 0.80 CTSK (0.48) SYKCTSKCTSSATMIDO1
SCHEMBL6690446 0.80 CTSK (0.48) SYKCTSKCTSSATMMALT1
SCHEMBL16181501 0.80 CTSK (0.50) SYKCTSKCTSSATMMALT1
SCHEMBL1624911 0.80 NPC1 (0.58) SYKCTSKCTSSATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 US disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK SYK 295/4885CTSK 2464/4885CTSS 3306/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK SYK 295/4885CTSK 2464/4885CTSS 3306/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.